SCHEMBL3115249

SCHEMBL3115249

NCN1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
GAA P10253 1/20 0.58
CHRM2 P08172 5/20 0.55
CHRM4 P08173 5/20 0.55
CHRM1 P11229 5/20 0.55
CHRM3 P20309 5/20 0.55
ALOX15 P16050 3/20 0.55
USP2 O75604 1/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
TAAR1 Q96RJ0 1/20 0.51
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
MAPT P10636 1/20 0.49
CASP7 P55210 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7334381 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL4700805 0.85 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL7951597 0.84 ALDH1A1 (0.77) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL18263330 0.82 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL10994721 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL3108676 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL3233063 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL772349 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL16372262 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAACHRM2
SCHEMBL19908414 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AGAACHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 ALDH1A1 3580/4885MEN1 1111/4885KMT2A 2286/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.